SCHEMBL9035172

SCHEMBL9035172

CC[C@H](C)[C@H](NCCc1ccc(O)cc1)C(=O)NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
CA2 P00918 3/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34
OPRK1 P41145 1/20 0.33
PLA2G4A P47712 2/20 0.33
PLA2G6 O60733 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
POLB P06746 1/20 0.33
GHSR Q92847 2/20 0.32
PTPN1 P18031 1/20 0.32
NR1H2 P55055 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9033888 0.96 ABCB1 (0.41) ABCB1CA2KMT2AMEN1ATM
SCHEMBL9035167 0.94 CA2 (0.41) ABCB1CA2CTSLCTSBKMT2A
SCHEMBL9032745 0.93 ABCB1 (0.39) ABCB1CA2KMT2AMEN1ATM
SCHEMBL9032739 0.90 ABCB1 (0.40) ABCB1KMT2AMEN1ATMPLA2G4A
SCHEMBL9033882 0.90 ABCB1 (0.42) ABCB1CA2KMT2AMEN1ATM
SCHEMBL9033588 0.89 ABCB1 (0.40) ABCB1CA2KMT2AMEN1ATM
SCHEMBL9034612 0.87 SMN1; SMN2 (0.39) ABCB1KMT2AMEN1
SCHEMBL9034510 0.87 ABCB1 (0.37) ABCB1KMT2AMEN1ATMPLA2G4A
SCHEMBL9035133 0.87 ABCB1 (0.39) ABCB1CA2KMT2AMEN1ATM
SCHEMBL9034419 0.86 ABCB1 (0.38) ABCB1KMT2AMEN1ATMPLA2G4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696593-A2 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-14 EP disclosed